Sodium bicarbonate

CAS 144-55-8  ·  NaHCO₃  ·  MW 84.007 g/mol

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3D model Sodium Bicarbonate, CAS 144-55-8, molecular formula NaHCO₃, molar mass 84.007 g/mol

Model views

  • Sodium bicarbonate (CAS 144-55-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Sodium bicarbonate (CAS 144-55-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Sodium bicarbonate (CAS 144-55-8) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Sodium bicarbonate (CAS 144-55-8) – 2D structure, MolGod Viewer
    2D structure

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About Sodium bicarbonate

Sodium bicarbonate is a chemical compound registered under number CAS 144-55-8, with the molecular formula NaHCO₃, and a molar mass of 84.007 g/mol.

The molecule contains 6 atoms connected by 5 chemical bonds. The full systematic IUPAC name of this compound is sodium hydrogen carbonate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 60.4 Ų, 1 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaNaHCO₃
Molar mass84.007 g/mol
IUPACsodium hydrogen carbonate
SMILESC(=O)(O)[O-].[Na+]
InChIKeyUIIMBOGNXHQVGW-UHFFFAOYSA-M
logP (XLogP3)—
PSA60.4 Ų
HBD / HBA1 / 3
PubChem CIDCID 516892 ↗
Scientific literature

Related literature

20 articles · 20 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 20)

2012: number of articles 120122014: number of articles 12017: number of articles 12021: number of articles 120212025: number of articles 42026: number of articles 122026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
SODIUM BICARBONATE · 144-55-8 · Sodium hydrogen carbonate · Baking soda · Sodium hydrogencarbonate · Sodium acid carbonate · Bicarbonate of soda · Carbonic acid monosodium salt · Monosodium carbonate · Meylon · NaHCO3 · Neut · Col-evac · Natriumhydrogenkarbonat · Sel De vichy
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/516892
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
sodium bicarbonate (CAS 144-55-8), NaHCO₃ - 3D ball-and-stick molecular model, engraved element symbols (Na H C O), MolGod STL previewDownload image

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sodium bicarbonate (CAS 144-55-8), NaHCO₃ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
sodium bicarbonate · 144-55-8
InChIKey
UIIMBOGNXHQVGW-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — sodium bicarbonate (CAS 144-55-8)
License & provenance record
sodium bicarbonate (CAS 144-55-8) →
MolGod molecule record
sodium bicarbonate →
Source data
PubChem CID 516892 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
fb1332d81b6660208527fa1479b280658607039452837120d333399e86964077
MD5 (STL)
323af131eafadc6029270a3ea21de890
Model identifier
MG-STL-144-55-8
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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